==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(CARBOXYLIC ESTERASE) 28-FEB-94 1TCC . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ANTARCTICA; . AUTHOR J.UPPENBERG,T.A.JONES . 634 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 30 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 9 1 2 4 0 2 0 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A L 0 0 110 0, 0.0 170,-0.1 0, 0.0 116,-0.1 0.000 360.0 360.0 360.0 134.6 -2.9 5.4 48.7 2 2 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 116,-0.0 -0.180 360.0-178.3 -54.7 146.3 -0.5 6.2 51.6 3 3 A S + 0 0 100 2,-0.1 2,-0.4 114,-0.0 113,-0.0 -0.899 33.4 41.3-141.4 169.9 -1.9 8.7 54.2 4 4 A G S S+ 0 0 59 -2,-0.3 2,-0.2 115,-0.1 116,-0.0 -0.751 94.6 8.2 99.4-141.3 -0.9 10.5 57.4 5 5 A S S S- 0 0 115 -2,-0.4 -2,-0.1 1,-0.1 0, 0.0 -0.472 76.0-106.6 -83.3 152.5 2.5 12.1 58.1 6 6 A D - 0 0 51 -2,-0.2 112,-0.2 112,-0.1 -1,-0.1 -0.384 37.4-104.8 -74.8 152.4 5.3 12.5 55.6 7 7 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.397 46.3 -92.8 -72.3 156.8 8.4 10.3 55.8 8 8 A A - 0 0 88 1,-0.1 2,-0.2 -2,-0.1 3,-0.0 -0.381 40.4-111.8 -70.2 149.3 11.5 11.9 57.1 9 9 A F - 0 0 75 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.569 15.0-152.6 -77.5 148.1 13.9 13.4 54.6 10 10 A S S S+ 0 0 64 -2,-0.2 -1,-0.1 2,-0.1 68,-0.1 0.694 78.2 66.0 -92.8 -21.9 17.2 11.6 54.3 11 11 A Q S S- 0 0 65 67,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.669 94.2-101.1-100.7 152.3 19.0 14.8 53.2 12 12 A P >> - 0 0 71 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.424 30.9-120.2 -68.7 147.1 19.6 18.0 55.3 13 13 A K H 3> S+ 0 0 121 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.856 112.3 56.3 -58.2 -38.0 17.2 20.9 54.6 14 14 A S H 3> S+ 0 0 89 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.822 106.7 50.6 -63.6 -32.3 20.1 23.2 53.6 15 15 A V H <> S+ 0 0 55 -3,-0.8 4,-0.6 2,-0.2 -1,-0.2 0.921 112.6 45.9 -71.0 -42.8 21.2 20.7 51.0 16 16 A L H >< S+ 0 0 1 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.877 110.1 55.0 -66.9 -37.1 17.6 20.5 49.6 17 17 A D H >< S+ 0 0 61 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.867 99.0 61.8 -62.9 -39.6 17.3 24.3 49.7 18 18 A A H 3< S+ 0 0 81 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.698 97.2 59.4 -61.1 -22.8 20.4 24.7 47.6 19 19 A G T << S+ 0 0 9 -3,-0.9 48,-1.8 -4,-0.6 2,-0.4 0.486 90.6 85.4 -86.9 -2.0 18.7 22.8 44.7 20 20 A L E < +A 66 0A 17 -3,-1.8 2,-0.3 46,-0.2 46,-0.2 -0.849 50.6 165.0-105.0 134.8 15.8 25.3 44.4 21 21 A T E -A 65 0A 68 44,-2.2 44,-2.8 -2,-0.4 2,-0.3 -0.996 17.3-160.1-148.6 140.1 16.0 28.5 42.3 22 22 A a E > -AB 64 25A 9 3,-0.6 3,-0.8 -2,-0.3 2,-0.5 -0.920 32.8-103.9-120.4 148.3 13.5 30.9 41.0 23 23 A Q T 3 S- 0 0 83 40,-3.0 3,-0.1 -2,-0.3 -2,-0.0 -0.598 97.3 -18.5 -75.1 117.6 13.9 33.4 38.1 24 24 A G T 3 S+ 0 0 88 -2,-0.5 2,-0.3 1,-0.1 -1,-0.3 0.655 126.0 74.0 61.9 20.1 14.4 36.9 39.5 25 25 A A B < S-B 22 0A 40 -3,-0.8 -3,-0.6 5,-0.0 5,-0.1 -0.985 76.7-112.3-157.7 162.6 13.0 36.1 42.9 26 26 A S B > -H 29 0B 61 3,-0.5 3,-1.7 -2,-0.3 -5,-0.1 -0.780 29.4-126.0 -96.3 142.5 13.5 34.3 46.2 27 27 A P T 3 S+ 0 0 30 0, 0.0 3,-0.5 0, 0.0 66,-0.2 0.725 109.8 61.6 -60.2 -21.0 11.4 31.2 47.0 28 28 A S T 3 S+ 0 0 93 1,-0.3 2,-0.1 66,-0.1 62,-0.0 0.637 117.4 26.4 -80.4 -16.0 10.4 32.9 50.3 29 29 A S B < S+H 26 0B 95 -3,-1.7 -3,-0.5 65,-0.1 2,-0.4 -0.546 85.2 143.4-147.9 75.8 8.8 35.8 48.5 30 30 A V - 0 0 8 63,-2.0 2,-0.5 -3,-0.5 -5,-0.0 -0.934 39.5-137.3-123.1 141.6 7.6 34.8 45.0 31 31 A S S S- 0 0 92 -2,-0.4 31,-0.3 1,-0.2 63,-0.1 -0.853 79.0 -18.6-101.5 125.7 4.5 35.8 43.0 32 32 A K S S- 0 0 110 -2,-0.5 30,-2.2 62,-0.2 -1,-0.2 0.936 86.1-164.9 47.9 60.7 2.5 33.1 41.1 33 33 A P E -c 62 0A 6 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.314 15.7-162.3 -75.9 158.9 5.3 30.5 41.1 34 34 A I E -c 63 0A 0 28,-1.6 30,-2.5 65,-0.1 2,-0.5 -0.990 14.6-138.6-139.4 127.6 5.5 27.4 38.9 35 35 A L E -cd 64 101A 0 65,-2.1 67,-2.5 -2,-0.4 2,-0.6 -0.826 12.5-160.4 -94.2 126.9 7.8 24.5 39.7 36 36 A L E -cd 65 102A 0 28,-2.3 30,-1.3 -2,-0.5 67,-0.2 -0.926 0.7-161.3-108.2 119.7 9.7 22.9 36.9 37 37 A V E - d 0 103A 0 65,-2.3 67,-1.7 -2,-0.6 70,-0.2 -0.915 20.7-138.8-105.3 111.8 11.0 19.4 37.5 38 38 A P - 0 0 0 0, 0.0 69,-0.5 0, 0.0 66,-0.2 0.103 12.4-106.9 -61.7 171.1 13.8 18.4 35.0 39 39 A G > - 0 0 0 4,-0.2 3,-1.3 67,-0.2 66,-0.1 -0.474 51.2 -63.8 -97.2 173.9 14.5 15.3 33.1 40 40 A T T 3 S+ 0 0 19 1,-0.2 32,-0.2 -2,-0.2 -1,-0.2 -0.251 118.4 15.5 -59.2 136.1 17.3 12.7 33.6 41 41 A G T 3 S+ 0 0 0 30,-2.0 243,-0.4 1,-0.2 2,-0.3 0.655 110.9 89.6 75.6 17.0 20.8 13.9 33.0 42 42 A T < - 0 0 0 -3,-1.3 -1,-0.2 29,-0.5 2,-0.2 -0.917 66.6-129.8-140.3 164.3 20.0 17.6 33.1 43 43 A T > - 0 0 36 -2,-0.3 4,-1.7 28,-0.1 5,-0.2 -0.638 46.8 -91.4-104.1 168.9 19.7 20.5 35.5 44 44 A G H >> S+ 0 0 0 -2,-0.2 4,-2.4 1,-0.2 3,-0.8 0.934 126.8 44.5 -45.0 -58.8 16.6 22.7 35.7 45 45 A P H 3> S+ 0 0 33 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.869 109.9 55.1 -56.6 -42.1 18.0 25.3 33.2 46 46 A Q H 34 S+ 0 0 74 1,-0.2 -2,-0.2 2,-0.2 4,-0.2 0.793 113.9 42.0 -62.8 -29.9 19.2 22.6 30.8 47 47 A S H << S+ 0 0 0 -4,-1.7 5,-0.2 -3,-0.8 -1,-0.2 0.876 132.2 19.1 -83.3 -38.7 15.8 21.1 30.6 48 48 A F H ><>S+ 0 0 0 -4,-2.4 5,-2.3 -5,-0.2 3,-1.2 0.455 91.2 93.4-117.4 -1.5 13.8 24.3 30.5 49 49 A D T 3<5S+ 0 0 90 -4,-3.1 -3,-0.1 1,-0.3 -1,-0.1 0.892 95.6 43.8 -59.6 -39.5 15.9 27.3 29.4 50 50 A S T 3 5S+ 0 0 9 -5,-0.3 -1,-0.3 -4,-0.2 224,-0.2 0.410 133.4 5.0 -86.9 2.0 14.9 26.9 25.7 51 51 A N T <>5S+ 0 0 0 -3,-1.2 4,-2.2 222,-0.1 5,-0.2 0.297 122.3 29.1-144.0 -87.3 11.3 26.3 26.4 52 52 A W H >5S+ 0 0 1 -5,-0.2 4,-1.4 1,-0.2 5,-0.2 0.572 108.5 64.0 -71.8 -10.8 9.2 26.4 29.6 53 53 A I H > S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.898 121.6 53.5 -70.7 -35.8 10.5 31.8 29.0 55 55 A L H X S+ 0 0 2 -4,-2.2 4,-0.6 1,-0.2 -3,-0.2 0.852 109.6 46.2 -66.1 -37.1 7.1 30.4 28.0 56 56 A S H <>S+ 0 0 0 -4,-1.4 5,-2.4 2,-0.2 3,-0.3 0.835 109.4 55.9 -74.3 -31.5 5.8 30.2 31.6 57 57 A T H ><5S+ 0 0 59 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.920 105.7 51.3 -64.0 -42.4 7.1 33.7 32.2 58 58 A Q H 3<5S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.692 105.1 58.0 -67.0 -21.1 5.0 34.9 29.2 59 59 A L T 3<5S- 0 0 11 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.442 127.3 -98.0 -88.0 -2.8 2.0 33.1 30.8 60 60 A G T < 5S+ 0 0 53 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.598 83.0 124.4 97.5 13.2 2.3 35.2 33.9 61 61 A Y < - 0 0 12 -5,-2.4 -1,-0.3 -6,-0.1 -29,-0.1 -0.684 60.7-130.2-104.6 158.3 4.3 32.8 36.1 62 62 A T E - c 0 33A 30 -30,-2.2 -28,-1.6 -31,-0.3 2,-0.2 -0.945 35.4-133.7-104.5 108.2 7.6 33.2 38.0 63 63 A P E + c 0 34A 0 0, 0.0 -40,-3.0 0, 0.0 2,-0.3 -0.485 29.0 176.9 -69.1 134.5 9.5 30.0 36.9 64 64 A a E -Ac 22 35A 0 -30,-2.5 -28,-2.3 -42,-0.3 2,-0.3 -0.932 4.1-177.7-130.8 154.9 11.2 28.1 39.7 65 65 A W E -Ac 21 36A 28 -44,-2.8 -44,-2.2 -2,-0.3 2,-0.4 -0.975 21.4-133.4-153.6 161.2 13.1 24.8 39.3 66 66 A I E -A 20 0A 0 -30,-1.3 -46,-0.2 -2,-0.3 -47,-0.1 -0.934 8.8-166.5-117.8 143.6 15.0 22.1 41.2 67 67 A S - 0 0 33 -48,-1.8 4,-0.2 -2,-0.4 -47,-0.1 -0.566 11.3-164.7-130.2 71.5 18.4 20.7 40.1 68 68 A P > - 0 0 1 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.268 38.7 -81.7 -56.6 129.3 19.0 17.6 42.2 69 69 A P T 4 S+ 0 0 72 0, 0.0 -50,-0.0 0, 0.0 -26,-0.0 -0.638 107.3 28.2 -88.0 144.7 22.7 16.6 41.9 70 70 A P T >4 S- 0 0 53 0, 0.0 3,-2.2 0, 0.0 -29,-0.2 0.291 125.2 -67.7-101.6 117.8 24.2 15.1 39.9 71 71 A F T 34 S- 0 0 83 1,-0.3 -30,-2.0 -4,-0.2 -29,-0.5 0.823 92.8 -64.3 50.9 39.7 22.0 16.0 36.9 72 72 A M T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 -31,-0.2 7,-0.1 0.704 111.0 120.0 60.0 21.0 19.0 14.0 38.1 73 73 A L < + 0 0 1 -3,-2.2 80,-2.0 -5,-0.2 81,-0.3 0.614 51.7 83.5 -90.0 -13.2 21.2 10.8 37.8 74 74 A N S S- 0 0 59 78,-0.2 5,-0.2 1,-0.2 77,-0.0 -0.228 99.2 -41.9 -85.9 174.2 21.0 9.8 41.5 75 75 A D >> - 0 0 18 1,-0.1 4,-1.8 3,-0.1 3,-1.0 -0.024 49.0-139.8 -35.6 124.7 18.3 7.9 43.5 76 76 A T H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.797 101.3 62.9 -62.1 -31.1 14.8 9.1 42.4 77 77 A Q H 3> S+ 0 0 0 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.775 107.2 44.1 -66.6 -26.6 13.7 8.9 46.1 78 78 A V H <> S+ 0 0 11 -3,-1.0 4,-1.2 2,-0.2 3,-0.5 0.836 107.6 56.6 -85.4 -37.6 16.2 11.6 46.8 79 79 A N H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 3,-0.2 0.877 104.3 56.5 -60.4 -34.7 15.4 13.7 43.8 80 80 A T H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.810 97.1 60.9 -65.6 -34.9 11.8 13.8 45.1 81 81 A E H X S+ 0 0 1 -4,-0.6 4,-2.7 -3,-0.5 5,-0.3 0.893 101.2 54.7 -60.4 -38.9 12.9 15.2 48.5 82 82 A Y H X S+ 0 0 12 -4,-1.2 4,-2.1 -3,-0.2 -1,-0.2 0.924 111.7 44.7 -60.0 -42.1 14.2 18.2 46.5 83 83 A M H X S+ 0 0 1 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.890 112.1 49.4 -69.2 -44.4 10.7 18.6 45.0 84 84 A V H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.928 114.0 46.7 -61.9 -42.5 8.8 18.1 48.3 85 85 A N H X S+ 0 0 5 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.903 111.9 52.1 -65.0 -40.6 11.0 20.7 49.9 86 86 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.929 110.0 47.5 -62.0 -47.1 10.5 23.0 46.9 87 87 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.942 110.9 51.3 -60.1 -48.9 6.7 22.7 47.1 88 88 A T H X S+ 0 0 53 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.922 115.7 42.4 -54.5 -45.7 6.6 23.3 50.8 89 89 A A H X S+ 0 0 26 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.882 115.4 46.7 -69.9 -43.4 8.8 26.5 50.4 90 90 A L H X S+ 0 0 0 -4,-2.9 4,-0.5 2,-0.2 7,-0.3 0.821 109.3 55.7 -70.4 -31.4 7.1 27.9 47.3 91 91 A Y H ><>S+ 0 0 50 -4,-2.5 6,-1.3 -5,-0.3 5,-1.3 0.931 115.5 36.8 -66.1 -47.8 3.6 27.4 48.7 92 92 A A H ><5S+ 0 0 59 -4,-1.5 3,-1.1 -5,-0.3 -2,-0.2 0.794 113.8 58.2 -74.4 -31.0 4.4 29.4 51.8 93 93 A G H 3<5S+ 0 0 10 -4,-1.9 -63,-2.0 1,-0.2 -1,-0.2 0.542 104.3 52.5 -75.8 -9.0 6.5 31.8 49.8 94 94 A S T <<5S- 0 0 19 -3,-0.6 -1,-0.2 -4,-0.5 -62,-0.2 0.106 132.6 -85.5-111.5 19.2 3.5 32.6 47.6 95 95 A G T < 5S- 0 0 53 -3,-1.1 -3,-0.2 1,-0.1 -2,-0.1 0.851 81.9 -58.2 80.5 36.7 1.2 33.4 50.5 96 96 A N S - e 0 131A 4 -67,-1.7 3,-2.4 -2,-0.3 28,-0.2 -0.997 61.2 -42.3-137.6 138.8 9.6 16.4 31.8 105 105 A S T >> S+ 0 0 7 26,-1.7 3,-1.8 -2,-0.4 4,-0.8 -0.149 134.3 10.9 48.8-120.3 10.7 12.7 31.6 106 106 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.794 118.5 75.7 -55.6 -32.2 11.8 11.5 35.1 107 107 A G H <> S+ 0 0 0 -3,-2.4 4,-1.7 -69,-0.5 -1,-0.3 0.760 93.0 51.6 -52.4 -30.3 10.5 14.7 36.6 108 108 A G H <> S+ 0 0 0 -3,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.900 107.5 50.9 -73.9 -42.4 6.9 13.3 36.2 109 109 A L H X S+ 0 0 0 -4,-0.8 4,-2.2 -3,-0.3 -2,-0.2 0.866 110.4 51.0 -60.5 -39.4 7.8 10.1 38.0 110 110 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.909 109.4 49.6 -65.1 -44.8 9.3 12.2 40.8 111 111 A A H X S+ 0 0 3 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.912 114.7 43.8 -61.4 -44.6 6.2 14.3 41.1 112 112 A Q H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.859 112.2 52.8 -69.9 -36.6 3.9 11.2 41.3 113 113 A W H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 5,-0.2 0.874 112.2 47.7 -65.7 -35.4 6.3 9.5 43.7 114 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.923 110.4 48.8 -71.2 -45.6 6.1 12.6 45.9 115 115 A L H < S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.825 113.7 49.2 -64.4 -31.6 2.3 12.9 45.8 116 116 A T H < S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.947 124.5 24.5 -73.2 -50.0 2.0 9.2 46.7 117 117 A F H < S+ 0 0 9 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.635 116.7 60.1 -94.0 -16.8 4.3 9.0 49.6 118 118 A F >< - 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0 0 50 -27,-1.9 2,-0.3 -2,-0.7 -1,-0.2 0.956 65.9 -27.3 -62.5 -53.3 25.0 -3.9 -9.4 445 127 B R E - 0 0 29 -28,-0.4 -26,-2.8 50,-0.1 2,-0.4 -0.969 55.1-124.8-159.5 166.1 22.4 -3.2 -6.7 446 128 B L E -rs 419 497H 3 50,-2.9 52,-2.2 -2,-0.3 2,-0.6 -0.983 14.0-174.4-126.3 126.4 20.7 -0.4 -4.7 447 129 B M E -rs 420 498H 0 -28,-2.8 -26,-2.4 -2,-0.4 2,-0.5 -0.945 17.0-176.8-119.4 101.3 20.6 -0.1 -0.9 448 130 B A E -rs 421 499H 0 50,-2.4 52,-2.2 -2,-0.6 2,-0.6 -0.909 13.7-157.5-108.0 128.4 18.4 2.8 -0.1 449 131 B F E S-rs 422 500H 0 -28,-1.8 -26,-1.9 -2,-0.5 52,-0.2 -0.914 77.6 -16.2-106.0 121.1 17.8 4.0 3.5 450 132 B A S S- 0 0 0 50,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.936 85.4-175.4 52.9 53.9 14.6 6.1 4.0 451 133 B P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 3,-0.2 -0.609 21.5-147.7 -82.1 142.9 14.1 6.8 0.3 452 134 B D > + 0 0 3 -29,-0.7 3,-1.5 -2,-0.3 68,-0.2 -0.565 34.4 154.5-110.4 68.8 11.2 9.2 -0.7 453 135 B Y T 3 S+ 0 0 1 66,-1.6 -1,-0.2 -2,-0.6 67,-0.1 0.780 86.0 38.1 -62.6 -28.0 10.1 7.9 -4.1 454 136 B K T 3 S- 0 0 53 65,-0.8 -1,-0.3 1,-0.4 24,-0.2 0.209 111.6-130.3-106.4 13.4 6.7 9.4 -3.4 455 137 B G < - 0 0 0 -3,-1.5 -1,-0.4 64,-0.3 2,-0.3 -0.362 33.9 -74.4 70.2-154.8 8.1 12.5 -1.7 456 138 B T B -v 476 0J 9 19,-1.9 21,-1.9 52,-0.1 3,-0.5 -0.997 13.5-142.9-144.9 147.3 6.7 13.5 1.7 457 139 B V S S+ 0 0 62 52,-1.9 3,-0.3 -2,-0.3 51,-0.1 0.522 97.2 69.2 -85.1 -4.8 3.5 15.2 2.9 458 140 B L S S+ 0 0 68 49,-0.3 4,-0.4 51,-0.3 -1,-0.2 0.682 86.3 62.9 -87.1 -19.1 5.4 17.1 5.6 459 141 B A S > S+ 0 0 9 -3,-0.5 4,-2.1 16,-0.2 -1,-0.2 0.569 82.6 87.6 -81.8 -8.7 7.3 19.4 3.2 460 142 B G H > S+ 0 0 24 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.937 82.7 49.9 -54.4 -59.2 3.9 20.9 2.1 461 143 B P H > S+ 0 0 78 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.881 109.9 53.2 -48.5 -45.7 3.5 23.7 4.7 462 144 B L H 4>S+ 0 0 70 -4,-0.4 5,-1.5 2,-0.2 4,-0.3 0.957 105.4 53.8 -55.7 -51.6 7.1 24.8 4.0 463 145 B D H ><5S+ 0 0 17 -4,-2.1 3,-2.2 1,-0.2 5,-0.3 0.911 106.2 53.8 -47.7 -47.9 6.1 25.1 0.3 464 146 B A H 3<5S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.964 105.3 51.4 -52.4 -51.4 3.2 27.2 1.5 465 147 B L T 3<5S- 0 0 124 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.443 106.1-132.3 -69.0 4.2 5.7 29.5 3.2 466 148 B A T < 5S+ 0 0 41 -3,-2.2 -3,-0.2 -4,-0.3 -1,-0.2 0.742 76.3 121.8 48.7 25.0 7.6 29.7 -0.1 467 149 B V < + 0 0 63 -5,-1.5 2,-0.4 141,-0.1 -1,-0.2 -0.043 41.9 122.4-101.6 27.6 10.6 28.9 2.2 468 150 B S B -W 609 0K 1 141,-0.6 141,-2.6 -5,-0.3 143,-0.2 -0.775 57.9-136.4-102.1 135.5 11.3 25.8 0.1 469 151 B A >> - 0 0 2 -2,-0.4 4,-1.6 139,-0.2 3,-0.8 -0.354 38.1 -95.7 -76.3 163.8 14.5 25.1 -1.8 470 152 B P H >> S+ 0 0 7 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.913 125.2 42.2 -46.2 -56.3 14.3 23.7 -5.4 471 153 B S H 3> S+ 0 0 0 -80,-2.1 4,-0.8 1,-0.2 -79,-0.1 0.651 108.0 61.7 -68.7 -19.7 14.6 20.0 -4.4 472 154 B V H <4 S+ 0 0 14 -3,-0.8 -1,-0.2 -81,-0.4 -9,-0.1 0.831 103.5 49.5 -74.9 -33.6 12.2 20.5 -1.4 473 155 B W H X< S+ 0 0 43 -4,-1.6 3,-1.3 -3,-0.5 -2,-0.2 0.930 112.3 48.7 -66.3 -45.6 9.5 21.5 -3.9 474 156 B Q H 3< S+ 0 0 0 -4,-1.5 8,-0.4 1,-0.3 -1,-0.2 0.657 107.3 54.7 -68.9 -20.7 10.2 18.4 -5.9 475 157 B Q T 3< S+ 0 0 11 -4,-0.8 -19,-1.9 -5,-0.1 2,-0.5 0.323 84.2 107.9 -96.6 7.6 10.2 16.1 -2.9 476 158 B T B X S-v 456 0J 16 -3,-1.3 3,-1.6 -21,-0.3 6,-0.3 -0.744 84.7-100.9 -88.3 128.6 6.7 17.2 -1.8 477 159 B T T 3 S+ 0 0 62 -21,-1.9 -22,-0.1 -2,-0.5 -1,-0.1 -0.206 110.6 26.7 -48.3 126.0 3.9 14.7 -2.4 478 160 B G T 3 S+ 0 0 43 1,-0.3 -1,-0.3 -24,-0.2 -23,-0.1 0.541 88.6 147.6 94.0 10.2 2.1 15.6 -5.6 479 161 B S <> - 0 0 6 -3,-1.6 4,-2.2 -5,-0.2 -1,-0.3 -0.321 62.1-115.0 -75.2 160.3 5.0 17.4 -7.2 480 162 B A H > S+ 0 0 0 147,-0.3 4,-2.4 1,-0.2 5,-0.1 0.889 117.4 52.1 -61.8 -35.8 5.5 17.4 -11.0 481 163 B L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 109.4 45.0 -68.1 -48.4 8.8 15.4 -10.3 482 164 B T H > S+ 0 0 12 -8,-0.4 4,-1.9 -6,-0.3 -1,-0.2 0.873 113.6 52.9 -64.0 -34.0 7.2 12.6 -8.2 483 165 B T H X S+ 0 0 13 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.947 107.9 50.1 -63.9 -48.6 4.4 12.4 -10.7 484 166 B A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 6,-0.2 0.916 109.0 51.5 -57.0 -45.8 6.8 12.0 -13.7 485 167 B L H <>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 6,-0.2 0.912 112.5 47.1 -59.0 -43.5 8.7 9.2 -11.9 486 168 B R H ><5S+ 0 0 131 -4,-1.9 3,-2.2 1,-0.2 5,-0.4 0.977 113.3 45.3 -62.1 -57.9 5.5 7.4 -11.2 487 169 B N H 3<5S+ 0 0 83 -4,-2.7 -1,-0.2 135,-0.3 -2,-0.2 0.661 107.8 60.5 -61.6 -19.1 4.0 7.7 -14.7 488 170 B A T 3<5S- 0 0 2 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.412 122.3-104.9 -89.3 2.1 7.4 6.7 -16.2 489 171 B G T X 5S+ 0 0 35 -3,-2.2 3,-0.6 -170,-0.1 -3,-0.2 0.771 78.1 137.9 79.5 29.2 7.3 3.3 -14.3 490 172 B G T 3 < + 0 0 0 -5,-2.8 -4,-0.2 1,-0.2 4,-0.1 0.418 49.3 78.5 -86.9 -0.1 9.8 4.4 -11.7 491 173 B L T 3 S+ 0 0 23 -5,-0.4 32,-2.3 -6,-0.2 2,-0.3 0.286 83.1 73.4 -91.5 8.4 8.0 2.9 -8.7 492 174 B T B < S-x 523 0L 53 -3,-0.6 32,-0.2 30,-0.3 2,-0.1 -0.909 98.0 -95.6-115.1 146.9 9.2 -0.6 -9.5 493 175 B Q - 0 0 45 30,-2.4 -2,-0.1 -2,-0.3 -63,-0.0 -0.428 32.4-174.1 -64.8 135.7 12.8 -1.7 -8.9 494 176 B I S S+ 0 0 40 1,-0.3 -1,-0.2 -4,-0.1 -3,-0.0 0.775 78.5 19.8 -96.3 -36.5 14.9 -1.5 -12.0 495 177 B V S S- 0 0 7 69,-0.0 -1,-0.3 -54,-0.0 -50,-0.1 -0.900 117.3 -64.9-127.3 154.3 18.0 -3.1 -10.4 496 178 B P - 0 0 45 0, 0.0 -50,-2.9 0, 0.0 2,-0.4 -0.184 67.7-172.8 -44.7 115.4 18.0 -5.3 -7.2 497 179 B T E -s 446 0H 0 -52,-0.2 29,-3.0 27,-0.1 2,-0.5 -0.936 25.1-167.0-124.3 141.3 16.9 -2.9 -4.5 498 180 B T E -st 447 526H 0 -52,-2.2 -50,-2.4 -2,-0.4 2,-0.7 -0.995 11.0-164.1-123.2 118.2 16.5 -3.1 -0.7 499 181 B N E -st 448 527H 0 27,-2.2 29,-2.8 -2,-0.5 2,-0.6 -0.908 4.4-172.1-109.0 106.4 14.6 -0.2 0.9 500 182 B L E +st 449 528H 0 -52,-2.2 -50,-3.0 -2,-0.7 2,-0.3 -0.865 22.7 149.3 -98.5 121.7 15.1 0.1 4.7 501 183 B Y E - t 0 529H 0 27,-2.5 29,-2.8 -2,-0.6 2,-0.4 -0.896 35.1-124.1-143.9 175.8 12.7 2.6 6.3 502 184 B S > - 0 0 0 -2,-0.3 3,-1.1 27,-0.2 37,-0.1 -0.962 12.3-142.0-130.5 146.7 10.9 3.4 9.5 503 185 B A T 3 S+ 0 0 17 -2,-0.4 8,-0.3 1,-0.3 9,-0.2 0.778 106.2 56.8 -71.5 -26.2 7.3 4.1 10.5 504 186 B T T 3 S+ 0 0 16 36,-0.3 2,-0.4 34,-0.2 -1,-0.3 0.015 73.1 142.1 -95.0 25.0 8.5 6.7 12.9 505 187 B D < - 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0 0 0 -2,-0.3 3,-1.5 -25,-0.1 -30,-0.3 -0.997 35.3-109.2-130.3 133.0 9.2 -0.1 -4.7 523 205 B F B 3 S+x 492 0L 93 -32,-2.3 -30,-2.4 -2,-0.4 3,-0.1 -0.409 103.0 11.1 -64.9 138.5 7.4 -3.1 -6.3 524 206 B N T 3 S+ 0 0 117 1,-0.3 -1,-0.3 -32,-0.2 -27,-0.1 0.311 104.7 120.6 77.7 -10.9 9.5 -6.2 -6.5 525 207 B G S < S- 0 0 14 -3,-1.5 2,-1.4 -29,-0.1 -1,-0.3 -0.357 79.2-104.3 -82.3 164.4 12.0 -4.7 -4.2 526 208 B K E -t 498 0H 51 -29,-3.0 -27,-2.2 -3,-0.1 2,-0.7 -0.763 45.7-169.4 -89.0 88.6 13.1 -6.0 -0.8 527 209 B N E -t 499 0H 29 -2,-1.4 2,-0.6 -29,-0.2 -27,-0.2 -0.773 5.3-173.8 -87.8 111.3 11.1 -3.5 1.3 528 210 B V E -t 500 0H 5 -29,-2.8 -27,-2.5 -2,-0.7 2,-0.6 -0.913 9.8-170.4-112.5 107.3 12.0 -3.6 4.9 529 211 B Q E >> -t 501 0H 13 -2,-0.6 3,-1.1 -29,-0.2 4,-0.6 -0.885 23.2-139.4 -92.2 121.8 10.0 -1.5 7.4 530 212 B A H >> S+ 0 0 0 -29,-2.8 4,-2.8 -2,-0.6 3,-1.5 0.872 100.0 51.2 -49.0 -47.8 12.0 -1.7 10.7 531 213 B Q H 3> S+ 0 0 21 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.763 99.0 66.3 -64.8 -25.2 8.9 -2.1 12.9 532 214 B A H <4 S+ 0 0 56 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.709 116.5 27.7 -68.1 -19.4 7.6 -4.9 10.7 533 215 B V H << S+ 0 0 50 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.731 130.3 36.8-109.2 -36.1 10.6 -6.9 11.9 534 216 B e H < S- 0 0 27 -4,-2.8 3,-0.2 1,-0.2 -3,-0.2 0.486 107.2-110.5-100.0 -5.6 11.3 -5.4 15.4 535 217 B G >< - 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